Geometry & MOs

Info

ID:	78447
PubChem CID:	49689733
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	8.86
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(furan-2-yl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC2CCN(CC2)C(=O)C3=C(N=NS3)C

DOS

IR

Vibrations